Hydrogen Bromide → 2-Cyano-3-methyl-4-oxo-4-(2-trifluoromethyl-phenyl)-butyric acid methyl ester
Reaction equation
[Br:15].[Br:25][CH:26]([CH3:27])[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][c:34]1[C:35]([F:36])([F:37])[F:38])=[O:39].[C:40]([Cl:41])([Cl:42])([Cl:43])[Cl:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:18][O:19][C:20](=[O:21])[CH2:22][C:23]#[N:24].[F:1][C:2]([c:3]1[c:4]([C:9]([CH2:10][CH3:11])=[O:12])[cH:5][cH:6][cH:7][cH:8]1)([F:13])[F:14].[H-:17].[Na+:16]>>[F:1][C:2]([c:3]1[c:4]([C:9]([CH:10]([CH3:11])[CH:22]([C:20]([O:19][CH3:18])=[O:21])[C:23]#[N:24])=[O:12])[cH:5][cH:6][cH:7][cH:8]1)([F:13])[F:14]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-f922cc6835ad43e8892b4707b6296c9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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